Ibáñez-Insa, J. (2022). First-Principles Calculations of Minerals and Related Materials. In Minerals (Vol. 12, Issue 9). https://doi.org/10.3390/min12091171
Abstract
As stated in their announcements and accompanying information, Special Issues published in scientific journals are usually aimed at compiling recent progress on highly specialized topics. The articles put together in Special Issues tend to be unrelated to each other when they involve more general topics. An important achievement in such cases, although often unintended, relates to the information contained in the published papers in relation to the current state of the subject area. For instance, one may take a careful look at the tools, methodologies or approaches that are commonly employed by researchers working in the field. This is the case for the present Special Issue, “First-Principles Calculations of Minerals and Related Materials”, which provides a snapshot of the quantum-mechanical computational methods that are currently being employed for research in mineralogy and geochemistry.
